Bis(4-Pyridinylmethyl) 2,6-Dimethyl-4-(3-Methyl-5,6-Dihydro-1,4-Dithiin-2-Yl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H27N3O4S2
IUPAC Name bis(2,6-dihydropyridine-2,6-diylium-4-ylmethyl) 2,6-dimethyl-4-(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 509.640 g·mol−1
Heat of Formation 605.6 ± 16.7 kJ·mol−1
Dipole Moment 10.59 ± 1.08 D
Volume 581.81 Å 3
Surface Area 394.35 Å 2
HOMO Energy -7.82 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-pyridinedicarboxylic acid, 4-(5,6-dihydro-3-methyl-1,4-dithiin-2-yl)-1,4-dihydro-2,6-dimethyl-, bis(4-pyridinylmethyl) ester
  • 2,6-dimethyl-4-(3-methyl-5,6-dihydro-1,4-dithiin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(4-pyridylmethyl) ester
  • bis(4-pyridylmethyl) 2,6-dimethyl-4-(3-methyl-5,6-dihydro-1,4-dithiin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
  • bis(4-pyridylmethyl)-4-[2-(3-methyl-5,6-dihydro-1,4-dithiinyl)]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • bis(pyridin-4-ylmethyl) 2,6-dimethyl-4-(3-methyl-5,6-dihydro-1,4-dithiin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
  • nik250
  • nk 250
  • nk-250
CAS Number(s)
  • 126444-09-5
InChIKey WKCXIRURXIDOND-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N